BDBM232311 US9346794, 15

SMILES: CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F

InChI Key: InChIKey=CDZHGEABVVICPW-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 232311   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Leukocyte elastase (Homo sapiens (Human))	BDBM232311 (US9346794, 15) Show SMILES CC(C)n1cc(C(=O)NCc2ccc(cc2C)S(C)(=O)=NC#N)c(=O)c(c1C)-c1cccc(c1)C(F)(F)F Show InChI InChI=1S/C27H27F3N4O3S/c1-16(2)34-14-23(25(35)24(18(34)4)19-7-6-8-21(12-19)27(28,29)30)26(36)32-13-20-9-10-22(11-17(20)3)38(5,37)33-15-31/h6-12,14,16H,13H2,1-5H3,(H,32,36)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	US Patent	n/a	n/a	2.20	n/a	n/a	n/a	n/a	7.5	25
Boehringer Ingelheim International GmbH US Patent					Assay Description The following buffers were used: Compound buffer: 100 mM Tris, 500 mM NaCl, adjusted to pH 7.5; Assay buffer: 100 mM Tris, 500 mM NaCl, adjusted to p...				US Patent US9346794 (2016) BindingDB Entry DOI: 10.7270/Q2X63KSJ
					More data for this Ligand-Target Pair